⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL567835 | 0.78 | — | — | |
| SCHEMBL1072 | 0.68 | — | — | |
| Water SCHEMBL5456508 | 0.63 | — | — | |
| Iodomethane SCHEMBL799995 | 0.54 | — | — | |
| Ethane SCHEMBL20335527 | 0.54 | — | — | |
| Iodomethane SCHEMBL87147 | 0.54 | — | — | |
| Iodomethane SCHEMBL118500 | 0.54 | — | — | |
| SCHEMBL22129809 | 0.50 | — | — | |
| Iodomethane SCHEMBL28473371 | 0.50 | — | — | |
| SCHEMBL495780 | 0.50 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108164393-B | Preparation method of deuterated tert-butyl alcohol | 上海枢炬化工有限公司 | 2021-01-15 | — | — | CN | claimed |
| WO-2022242712-A1 | SUBSTITUTED MACROCYCLIC COMPOUND, COMPOSITION COMPRISING COMPOUND, AND USE THEREOF | 深圳市塔吉瑞生物医药有限公司 | 2022-11-24 | — | — | WO | disclosed |